1-(1-cyclopropylethyl)indole

C13H15N — CID 145022878

IUPAC1-(1-cyclopropylethyl)indole
SMILESCC(C1CC1)n1ccc2ccccc21
InChIInChI=1S/C13H15N/c1-10(11-6-7-11)14-9-8-12-4-2-3-5-13(12)14/h2-5,8-11H,6-7H2,1H3
InChIKeyDTCIWVNTIBAAAP-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.61
Rot. Bonds2

About 1-(1-cyclopropylethyl)indole

1-(1-cyclopropylethyl)indole (PubChem CID 145022878) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)indole.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)indole
PubChem CID145022878
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1-(1-cyclopropylethyl)indole
SMILESCC(C1CC1)n1ccc2ccccc21
InChIInChI=1S/C13H15N/c1-10(11-6-7-11)14-9-8-12-4-2-3-5-13(12)14/h2-5,8-11H,6-7H2,1H3
InChIKeyDTCIWVNTIBAAAP-UHFFFAOYSA-N
XLogP3.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)indole?
The IUPAC name of 1-(1-cyclopropylethyl)indole (CID 145022878) is 1-(1-cyclopropylethyl)indole.
What is the SMILES notation for 1-(1-cyclopropylethyl)indole?
The canonical SMILES for 1-(1-cyclopropylethyl)indole is CC(C1CC1)n1ccc2ccccc21.
What is the InChIKey of 1-(1-cyclopropylethyl)indole?
The InChIKey is DTCIWVNTIBAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10(11-6-7-11)14-9-8-12-4-2-3-5-13(12)14/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 1-(1-cyclopropylethyl)indole?
1-(1-cyclopropylethyl)indole has a molecular weight of 185.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)indole is sourced from PubChem (CID 145022878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).